element=lattice type=modelname=S diamond Three_Body_Stillinger_Weber_CdTeZnSeHgS__MO_503261197030_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -5.392437 Iterations: 33 Function evaluations: 66 {'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 2.6962187212361246, 'space_group': 'Fd-3m', 'element': 'S', 'lattice_constant': 6.660548247396946, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'S" "S" "S" "S" "S" "S" "S" "S', 'func_calls': 66}